REMARK Name = BDB035797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.038 -0.959 1.303 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.155 -0.865 0.223 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.353 -0.818 -0.977 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.202 -0.826 0.780 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.408 -0.724 0.111 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.590 -0.693 0.868 0.00 0.00 -0.027 A ATOM 7 C LIG 1 3.501 -0.743 2.283 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.263 -0.858 2.949 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.116 -0.899 2.164 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.318 -1.016 2.568 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.565 -0.880 -0.080 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.151 -0.839 0.026 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.458 -1.002 1.236 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.218 -1.204 2.394 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.610 -1.260 2.336 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.268 -1.105 1.117 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.291 -0.670 -1.510 0.00 0.00 +0.055 C ATOM 18 C LIG 1 -6.763 -1.183 -1.716 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -6.169 -2.514 -2.211 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -4.915 -1.721 -2.624 0.00 0.00 +0.019 C BRANCH 17 23 ATOM 21 C LIG 1 -6.221 2.072 -0.093 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.540 1.964 -1.352 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.127 0.829 -1.995 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.559 1.174 -3.133 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -4.593 2.544 -3.232 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -5.179 3.004 -2.152 0.00 0.00 +0.224 A ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 2.176 -0.913 4.451 0.00 0.00 +0.418 C ATOM 28 F LIG 1 1.555 0.183 4.968 0.00 0.00 -0.166 F ATOM 29 F LIG 1 3.385 -0.989 5.071 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.458 -1.984 4.889 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 4.936 -0.560 0.151 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 5.499 0.788 0.395 0.00 0.00 -0.302 NA ATOM 33 H LIG 1 4.788 1.352 0.866 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 5.995 1.427 -0.839 0.00 0.00 +0.017 C ATOM 35 C LIG 1 6.247 2.931 -0.510 0.00 0.00 +0.022 C ATOM 36 C LIG 1 5.507 3.274 -1.821 0.00 0.00 +0.004 C ATOM 37 C LIG 1 4.797 1.909 -1.707 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.158 0.723 -1.514 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 BRANCH 31 39 ATOM 39 C LIG 1 5.920 -1.667 0.582 0.00 0.00 +0.236 C ATOM 40 F LIG 1 5.408 -2.887 0.253 0.00 0.00 -0.247 F ENDBRANCH 31 39 ENDBRANCH 6 31 TORSDOF 8